(2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid

C14H17ClINO4 — CID 78975862

IUPAC(2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
SMILESCOc1cc(I)c(Cl)cc1C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C14H17ClINO4/c1-7(2)4-11(14(19)20)17-13(18)8-5-9(15)10(16)6-12(8)21-3/h5-7,11H,4H2,1-3H3,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeyBMQCXXHALUQIHS-LLVKDONJSA-N
MW425.65 g/mol
LogP3.18
Rot. Bonds6

About (2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid

(2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid (PubChem CID 78975862) has the molecular formula C14H17ClINO4 and a molecular weight of 425.65 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
PubChem CID78975862
Molecular FormulaC14H17ClINO4
Molecular Weight425.65 g/mol
Exact Mass424.99
IUPAC Name(2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
SMILESCOc1cc(I)c(Cl)cc1C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C14H17ClINO4/c1-7(2)4-11(14(19)20)17-13(18)8-5-9(15)10(16)6-12(8)21-3/h5-7,11H,4H2,1-3H3,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeyBMQCXXHALUQIHS-LLVKDONJSA-N
XLogP3.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.65
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-amino-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 63715560
4-amino-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 43357181
5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide
CID 103771614
5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide
CID 79253137
2-[(4-bromo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115368583
(2S)-2-[(2-chloro-4-iodobenzoyl)amino]-4-methylpentanoic acid
CID 119361057
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride
CID 119615563
4-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-3-methoxybutanoic acid
CID 103153008
(2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid
CID 119942883
propan-2-yl 2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]acetate
CID 56546801
(2R)-2-[(4,5-difluoro-2-iodobenzoyl)amino]-4-methylpentanoic acid
CID 119364479

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid (CID 78975862) is (2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid is COc1cc(I)c(Cl)cc1C(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is BMQCXXHALUQIHS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17ClINO4/c1-7(2)4-11(14(19)20)17-13(18)8-5-9(15)10(16)6-12(8)21-3/h5-7,11H,4H2,1-3H3,(H,17,18)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid?
(2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 425.65 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 78975862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).